BMRB: 5147

NMR structure of the Cyanobacterial Metallothionein SmtA

Authors

Sadler, P.J., Robinson, N.J.

Assembly

metallothionein

Entity

1. SmtA (polymer, Thiol state: all other bound), 55 monomers, 5610.239 Da Detail

TSTTLVKCAC EPCLCNVDPS KAIDRNGLYY CSEACADGHT GGSKGCGHTG CNCHG

2. ZN (non-polymer), 65.409 × 4 Da

Total weight

5871.875 Da

Max. entity weight

5610.239 Da

Entity Connection

metal coordination 16 Detail

---

ID	Type	Value order	Atom ID 1	Atom ID 2
1	metal coordination	sing	1:CYS8:SG	2:ZN1:ZN
2	metal coordination	sing	1:CYS13:SG	2:ZN1:ZN
3	metal coordination	sing	1:CYS31:SG	2:ZN1:ZN
4	metal coordination	sing	1:CYS35:SG	2:ZN1:ZN
5	metal coordination	sing	1:CYS10:SG	2:ZN1:ZN
6	metal coordination	sing	1:CYS35:SG	2:ZN1:ZN
7	metal coordination	sing	1:HIS39:NE2	2:ZN1:ZN
8	metal coordination	sing	1:CYS53:SG	2:ZN1:ZN
9	metal coordination	sing	1:CYS15:SG	2:ZN1:ZN
10	metal coordination	sing	1:CYS31:SG	2:ZN1:ZN
11	metal coordination	sing	1:CYS46:SG	2:ZN1:ZN
12	metal coordination	sing	1:HIS48:NE2	2:ZN1:ZN
13	metal coordination	sing	1:CYS13:SG	2:ZN1:ZN
14	metal coordination	sing	1:CYS46:SG	2:ZN1:ZN
15	metal coordination	sing	1:CYS51:SG	2:ZN1:ZN
16	metal coordination	sing	1:CYS53:SG	2:ZN1:ZN

Source organism

Synechococcus sp.

Exptl. method

NMR

Refine. method

distance geometry,

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 89.1 %, Completeness: 87.9 %, Completeness (bb): 84.6 % Detail

Download

• NMR-STAR v3.1 (partial)
• BMRB/XML (partial)
• CSV
• TSV

Polymer type: polypeptide(L)

	Total	1H	15N
All	87.9 % (291 of 331)	90.9 % (250 of 275)	73.2 % (41 of 56)
Backbone	84.6 % (143 of 169)	87.9 % (102 of 116)	77.4 % (41 of 53)
Sidechain	91.4 % (148 of 162)	93.1 % (148 of 159)	0.0 % (0 of 3)
Aromatic	100.0 % (14 of 14)	100.0 % (14 of 14)
Methyl	85.7 % (18 of 21)	85.7 % (18 of 21)

1. SmtA

TSTTLVKCAC EPCLCNVDPS KAIDRNGLYY CSEACADGHT GGSKGCGHTG CNCHG

Show sample condition

Sample #1

Pressure 1 atm, Temperature 308 (±0.2) K, pH 7.0 (±0.05)

#	Name	Isotope labeling	Type	Concentration
1	SmtA			3 mM
2	ZINC (II) ION			12 mM
3	[D-11]TRIS/HCl buffer			50 mM
4	NaCl			50 mM
5	H2O			90 %
6	D2O			10 %

Sample #2

Pressure 1 atm, Temperature 308 (±0.2) K, pH 7.0 (±0.05)

#	Name	Isotope labeling	Type	Concentration
7	SmtA	[U-15N]		0.4 mM
8	ZINC (II) ION			1.6 mM
9	[D-11]TRIS/HCl buffer			50 mM
10	NaCl			50 mM
11	H2O			90 %
12	D2O			10 %

Hide sample codition

Protein Blocks Logo

Calculated from 1 models in PDB: 1JJD, Strand ID: A Detail

---

Release date

2001-09-18

Citation

A metallothionein containing a zinc finger within a four-metal cluster protects a bacterium from zinc toxicity
Blindauer, C.A., Harrison, M.D., Parkinson, J.A., Robinson, A.K., Cavet, J.S., Robinson, N.J., Sadler, P.J.
Proc. Natl. Acad. Sci. U. S. A. (2001), 98, 9593-9598, PubMed 11493688 , DOI 10.1073/pnas.171120098 , Abstract

Related entities 1. SmtA, : 1 : 1 : 1 : 7 entities Detail

Experiments performed 3 experiments Detail